anti-pain drug v1 #220 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Amitriptyline
CASP1_HUMAN

Docking Scores:
-5.96 -7.72 -6.36
Similarity Score:
25.00%
Best Match:
CHEMBL466565

L: Tramadol
CASP1_HUMAN

Docking Scores:
-5.45 -6.85 -5.11
Similarity Score:
50.96%
Best Match:
CHEMBL1221503

L: Ibuprofen
CASP1_HUMAN

Docking Scores:
-5.84 -6.94 -5.64
Similarity Score:
38.46%
Best Match:
CHEMBL466565

L: Fenbufen
CASP1_HUMAN

Docking Scores:
-6.42 -7.66 -6.64
Similarity Score:
41.76%
Best Match:
CHEMBL1221546

L: Diclofenac
CASP1_HUMAN

Docking Scores:
-5.75 -6.77 -5.58
Similarity Score:
32.35%
Best Match:
CHEMBL78154

L: Amitriptyline
CDK5_HUMAN

Docking Scores:
-8.26 -8.43 -6.60
Similarity Score:
66.25%
Best Match:
CHEMBL1988201

L: Tramadol
CDK5_HUMAN

Docking Scores:
-6.74 -6.59 -6.43
Similarity Score:
37.00%
Best Match:
CHEMBL1988201

L: Ibuprofen
CDK5_HUMAN

Docking Scores:
-7.10 -7.44 -8.10
Similarity Score:
30.23%
Best Match:
CHEMBL1974288

L: Fenbufen
CDK5_HUMAN

Docking Scores:
-8.10 -8.22 -9.49
Similarity Score:
37.63%
Best Match:
CHEMBL1974288

L: Diclofenac
CDK5_HUMAN

Docking Scores:
-7.33 -7.84 -8.35
Similarity Score:
46.43%
Best Match:
CHEMBL1991734

L: Amitriptyline
CHLE_HUMAN

Docking Scores:
-9.56 -9.11 -9.29
Similarity Score:
33.98%
Best Match:
CHEMBL2381387

L: Tramadol
CHLE_HUMAN

Docking Scores:
-7.62 -7.29 -7.44
Similarity Score:
53.00%
Best Match:
CHEMBL3818250

L: Ibuprofen
CHLE_HUMAN

Docking Scores:
-7.66 -7.36 -7.33
Similarity Score:
41.54%
Best Match:
CHEMBL51931

L: Fenbufen
CHLE_HUMAN

Docking Scores:
-8.19 -8.11 -8.28
Similarity Score:
47.95%
Best Match:
CHEMBL51931

L: Diclofenac
CHLE_HUMAN

Docking Scores:
-8.65 -8.20 -8.70
Similarity Score:
45.59%
Best Match:
CHEMBL3087676

L: Amitriptyline
CNR1_HUMAN

Docking Scores:
-9.35 -9.46 -10.12
Similarity Score:
47.41%
Best Match:
CHEMBL148805

L: Tramadol
CNR1_HUMAN

Docking Scores:
-6.91 -8.21 -8.13
Similarity Score:
68.97%
Best Match:
CHEMBL3321781

L: Ibuprofen
CNR1_HUMAN

Docking Scores:
-7.43 -7.51 -7.98
Similarity Score:
51.61%
Best Match:
CHEMBL391380

L: Fenbufen
CNR1_HUMAN

Docking Scores:
-8.19 -8.76 -9.17
Similarity Score:
62.50%
Best Match:
CHEMBL234014

L: Diclofenac
CNR1_HUMAN

Docking Scores:
-7.80 -8.14 -8.82
Similarity Score:
46.55%
Best Match:
CHEMBL3936647